4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-phenylpiperazin-2-one

C14H16N4OS — CID 131946303

IUPAC4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-phenylpiperazin-2-one
SMILESCc1nnc(CN2CCN(c3ccccc3)C(=O)C2)s1
InChIInChI=1S/C14H16N4OS/c1-11-15-16-13(20-11)9-17-7-8-18(14(19)10-17)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
InChIKeyBIFMURGDPQDYKS-UHFFFAOYSA-N
MW288.38 g/mol
LogP1.70
Rot. Bonds3

About 4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-phenylpiperazin-2-one

4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-phenylpiperazin-2-one (PubChem CID 131946303) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-phenylpiperazin-2-one
PubChem CID131946303
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-phenylpiperazin-2-one
SMILESCc1nnc(CN2CCN(c3ccccc3)C(=O)C2)s1
InChIInChI=1S/C14H16N4OS/c1-11-15-16-13(20-11)9-17-7-8-18(14(19)10-17)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
InChIKeyBIFMURGDPQDYKS-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-phenylpiperazin-2-one?
The IUPAC name of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-phenylpiperazin-2-one (CID 131946303) is 4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-phenylpiperazin-2-one.
What is the SMILES notation for 4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-phenylpiperazin-2-one?
The canonical SMILES for 4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-phenylpiperazin-2-one is Cc1nnc(CN2CCN(c3ccccc3)C(=O)C2)s1.
What is the InChIKey of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-phenylpiperazin-2-one?
The InChIKey is BIFMURGDPQDYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-11-15-16-13(20-11)9-17-7-8-18(14(19)10-17)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3.
What are the key properties of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-phenylpiperazin-2-one?
4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-phenylpiperazin-2-one has a molecular weight of 288.38 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-phenylpiperazin-2-one is sourced from PubChem (CID 131946303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).